Data quality metrics extracted from 1r8g.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "2053c03ad21b1b6b29d52774de585a15",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.47,
    "b": 100.32,
    "c": 71.37,
    "alpha": 90.00,
    "beta": 99.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97925],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.86,2.15],
    "number_observations_unique": 62133,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 15.34
      },
      {
        "type": "Completeness",
        "value": 87.8
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.15],
      "number_observations_unique": 1142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 6.71
        },
        {
          "type": "Completeness",
          "value": 49.4
        },
        {
          "type": "Redundancy",
          "value": 0.9
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):